4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline

C15H9Cl2FN2 — CID 114589862

IUPAC4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
SMILESCc1ccc(F)c2c(Cl)nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C15H9Cl2FN2/c1-8-5-6-11(18)12-13(8)19-15(20-14(12)17)9-3-2-4-10(16)7-9/h2-7H,1H3
InChIKeyHUJPSGCFEAFHFA-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.05
Rot. Bonds1

About 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline

4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline (PubChem CID 114589862) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
PubChem CID114589862
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
SMILESCc1ccc(F)c2c(Cl)nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C15H9Cl2FN2/c1-8-5-6-11(18)12-13(8)19-15(20-14(12)17)9-3-2-4-10(16)7-9/h2-7H,1H3
InChIKeyHUJPSGCFEAFHFA-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,5-dichloro-8-fluoro-2-phenylquinazoline
CID 114590069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline (CID 114589862) is 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline is Cc1ccc(F)c2c(Cl)nc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline?
The InChIKey is HUJPSGCFEAFHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c1-8-5-6-11(18)12-13(8)19-15(20-14(12)17)9-3-2-4-10(16)7-9/h2-7H,1H3.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline?
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline has a molecular weight of 307.16 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline is sourced from PubChem (CID 114589862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).